n-Butyl-5-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxamide
TL;DR: n-Butyl-5-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxamide (CAS 380577-68-4) is a chemical compound with molecular formula C12H13ClN2O3 and molecular weight 268.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-5-chloro-2-oxo-1,3-benzoxazole-3-carboxamide
Also Known As: N-butyl-5-chloro-2-oxo-1,3-benzoxazole-3-carboxamide, 5-Chloro-2-oxo-benzooxazole-3-carboxylic acid butylamide, n-Butyl-5-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxamide, A2611/0110999, N-butyl(5-chloro-2-oxo(3-hydrobenzoxazol-3-yl))carboxamide
| Molecular Formula | C12H13ClN2O3 |
|---|---|
| Molecular Weight | 268.06 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.06146 |
| Heavy Atoms | 18 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 380577-68-4 |
|---|---|
| SMILES | CCCCNC(=O)N1C2=C(C=CC(=C2)Cl)OC1=O |
| InChIKey | OXQGNPBXSOKJHD-UHFFFAOYSA-N |
Product Overview
n-Butyl-5-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxamide (CAS 380577-68-4), with molecular formula C12H13ClN2O3 and molecular weight 268.06 g/mol. IUPAC: N-butyl-5-chloro-2-oxo-1,3-benzoxazole-3-carboxamide.
Chemical Property Profile of n-Butyl-5-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxamide
Property Insights of n-Butyl-5-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxamide
The XLogP value of 3.4 indicates that n-Butyl-5-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, n-Butyl-5-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-Butyl-5-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of n-Butyl-5-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxamide?
The CAS number of n-Butyl-5-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxamide is 380577-68-4.
What is the molecular formula of n-Butyl-5-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxamide?
The molecular formula of n-Butyl-5-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxamide is C12H13ClN2O3.
What is the molecular weight of n-Butyl-5-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxamide?
The molecular weight of n-Butyl-5-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxamide is 268.06 g/mol.
Where can I buy n-Butyl-5-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxamide?
You can request a quote for n-Butyl-5-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Butyl-5-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for n-Butyl-5-chloro-2-oxo-1,3-benzoxazole-3(2H)-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.